General updates | JW Could you review LW’s upcoming openff-2.2.1 PR to openff-forcefields and make the GH+c-f releases? You’re good to remove pAPRika interface from Evaluator. Jake Anderson is working on updating pAPRika and then will release and re-implement evaluator interface. For zstandard issue - I’m thinking of just having try: import zstandard at the top of openeye_wrapper.py… Would it really be that simple? MT – Downside is that, without try/except, this would become effectively required. Also because of how our imports work, anyone importing anything from openff toolkit would have the import run. Though it looks like the import is only 15ms.I looked in conftest and that has a try/except block around import qcportal…. So that might be why it didn’t come up in tests. MT – so the plan would be to try: import zstandard at top of openeye_wrapper, make a GH tag, and then make a off-main label c-f package without the pinned zstandard dep, then test locally… This sounds like a solid plan but with some testing it could take a little while. Could also yolo it without testing but that’d be a mess if it fails. JW – Ok, I would do a try/except.
|